[1-(2-cyclopentylethylideneamino)-2-methylpropan-2-yl] acetate

C13H23NO2 — CID 174748530

IUPAC[1-(2-cyclopentylethylideneamino)-2-methylpropan-2-yl] acetate
SMILESCC(=O)OC(C)(C)C/N=C/CC1CCCC1
InChIInChI=1S/C13H23NO2/c1-11(15)16-13(2,3)10-14-9-8-12-6-4-5-7-12/h9,12H,4-8,10H2,1-3H3/b14-9+
InChIKeyWFKGMYNQDYFRQP-NTEUORMPSA-N
MW225.33 g/mol
LogP2.98
Rot. Bonds5

About [1-(2-cyclopentylethylideneamino)-2-methylpropan-2-yl] acetate

[1-(2-cyclopentylethylideneamino)-2-methylpropan-2-yl] acetate (PubChem CID 174748530) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is [1-(2-cyclopentylethylideneamino)-2-methylpropan-2-yl] acetate.

Molecular Properties

Compound Name[1-(2-cyclopentylethylideneamino)-2-methylpropan-2-yl] acetate
PubChem CID174748530
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name[1-(2-cyclopentylethylideneamino)-2-methylpropan-2-yl] acetate
SMILESCC(=O)OC(C)(C)C/N=C/CC1CCCC1
InChIInChI=1S/C13H23NO2/c1-11(15)16-13(2,3)10-14-9-8-12-6-4-5-7-12/h9,12H,4-8,10H2,1-3H3/b14-9+
InChIKeyWFKGMYNQDYFRQP-NTEUORMPSA-N
XLogP2.98
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(2-cyclopentylethylideneamino)-2-methylpropan-2-yl] acetate?
The IUPAC name of [1-(2-cyclopentylethylideneamino)-2-methylpropan-2-yl] acetate (CID 174748530) is [1-(2-cyclopentylethylideneamino)-2-methylpropan-2-yl] acetate.
What is the SMILES notation for [1-(2-cyclopentylethylideneamino)-2-methylpropan-2-yl] acetate?
The canonical SMILES for [1-(2-cyclopentylethylideneamino)-2-methylpropan-2-yl] acetate is CC(=O)OC(C)(C)C/N=C/CC1CCCC1.
What is the InChIKey of [1-(2-cyclopentylethylideneamino)-2-methylpropan-2-yl] acetate?
The InChIKey is WFKGMYNQDYFRQP-NTEUORMPSA-N. The full InChI is InChI=1S/C13H23NO2/c1-11(15)16-13(2,3)10-14-9-8-12-6-4-5-7-12/h9,12H,4-8,10H2,1-3H3/b14-9+.
What are the key properties of [1-(2-cyclopentylethylideneamino)-2-methylpropan-2-yl] acetate?
[1-(2-cyclopentylethylideneamino)-2-methylpropan-2-yl] acetate has a molecular weight of 225.33 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-cyclopentylethylideneamino)-2-methylpropan-2-yl] acetate is sourced from PubChem (CID 174748530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).